CID 3058045

74417-05-3

Structural Information

Molecular Formula
C12H13N3O
SMILES
CCC1=CC=C(C=C1)C2=CN=NC(=N2)OC
InChI
InChI=1S/C12H13N3O/c1-3-9-4-6-10(7-5-9)11-8-13-15-12(14-11)16-2/h4-8H,3H2,1-2H3
InChIKey
PUNSCCWTMKPOQF-UHFFFAOYSA-N
Compound name
5-(4-ethylphenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 148.1
[M+Na]+ 238.09509 164.1
[M+NH4]+ 233.13969 156.0
[M+K]+ 254.06903 156.4
[M-H]- 214.09859 151.3
[M+Na-2H]- 236.08054 158.1
[M]+ 215.10532 151.4
[M]- 215.10642 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.